4-(1-hydroxy-1-methylethyl)benzenesulfonyl chloride | 1240505-04-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(1-hydroxy-1-methylethyl)benzenesulfonyl chloride
• 英文别名: 4-(2-Hydroxypropan-2-yl)benzenesulfonyl chloride
• CAS: 1240505-04-7
• 化学式: C₉H₁₁ClO₃S
• mdl: MFCD19201287
• 分子量: 234.704
• InChiKey: FDSVDMPEJUEVBM-UHFFFAOYSA-N

物化性质

• 沸点：
  344.6±25.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(1-hydroxy-1-methylethyl)benzenesulfonyl chloride 、 4-氮杂卓酮盐酸盐 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  The discovery of azepane sulfonamides as potent 11β-HSD1 inhibitors

  摘要：

  Discovery of a series of azepine sulfonamides as potent inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) is described. SAR studies at the 4-position of the azepane ring have resulted in the discovery of a very potent compound 30 which has an 11 beta-HSD1 IC50 of 3.0 nM. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.003
• 作为产物：
  描述：

  2-(4-benzylsulfanylphenyl)propan-2-ol 在 N-氯代丁二酰亚胺 、 溶剂黄146 作用下， 以 水 为溶剂， 以50.6 %的产率得到4-(1-hydroxy-1-methylethyl)benzenesulfonyl chloride
  参考文献：
  名称：

  [EN] SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF
  [FR] DÉRIVÉS CYCLIQUES DE SULFONYLE, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS

  摘要：

  The invention provides novel sulfonyl cyclic derivatives, and compositions and methods of preparation and use thereof, that are useful in treating various diseases and disorders related to TRPML activities such as lysosome storage diseases, muscular dystrophy, neurodegenerative diseases, oxidative stress or reactive oxygen species (ROS) related diseases, metabolic diseases, metastatic cancer, and ageing.

  公开号：

  WO2023235305A2

文献信息

• [EN] TRPML MODULATORS<br/>[FR] MODULATEURS DE TRPML
  申请人：CASMA THERAPEUTICS INC

  公开号：WO2022032073A3

  公开（公告）日：2022-03-31
• The discovery of azepane sulfonamides as potent 11β-HSD1 inhibitors
  作者：Santhosh F. Neelamkavil、Craig D. Boyle、Samuel Chackalamannil、William J. Greenlee、Lili Zhang、Giuseppe Terracina

  DOI：10.1016/j.bmcl.2009.07.003

  日期：2009.8

  Discovery of a series of azepine sulfonamides as potent inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) is described. SAR studies at the 4-position of the azepane ring have resulted in the discovery of a very potent compound 30 which has an 11 beta-HSD1 IC50 of 3.0 nM. (C) 2009 Elsevier Ltd. All rights reserved.
• [EN] SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF<br/>[FR] DÉRIVÉS CYCLIQUES DE SULFONYLE, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：[en]LYSOWAY THERAPEUTICS, INC.

  公开号：WO2023235305A2

  公开（公告）日：2023-12-07

  The invention provides novel sulfonyl cyclic derivatives, and compositions and methods of preparation and use thereof, that are useful in treating various diseases and disorders related to TRPML activities such as lysosome storage diseases, muscular dystrophy, neurodegenerative diseases, oxidative stress or reactive oxygen species (ROS) related diseases, metabolic diseases, metastatic cancer, and ageing.